tert-butyl 4-(2-bromophenyl)sulfonyl-1-methyl-piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 4-(2-bromophenyl)sulfonyl-1-methyl-piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 4-(2-bromophenyl)sulfonyl-1-methyl-piperidin-1-ium-1-carboxylate CAS Name: 4-(2-bromophenyl)sulfonyl-1-methyl-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-bromophenyl)sulfonyl-1-methylpiperidin-1-ium-1-carboxylate Traditional Name: 4-(2-bromophenyl)sulfonyl-1-methyl-piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C17H25BrNO4S+ MolecularWeight: 419.3537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC(CC1)S(=O)(=O)C2=CC=CC=C2Br)C

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC(CC1)S(=O)(=O)C2=CC=CC=C2Br)C

InChI

InChI=1S/C17H25BrNO4S/c1-17(2,3)23-16(20)19(4)11-9-13(10-12-19)24(21,22)15-8-6-5-7-14(15)18/h5-8,13H,9-12H2,1-4H3/q+1